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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1550",
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"results": [
{
"id": "jvasp-51017",
"created_at": "2022-09-04T14:37:28.095195Z",
"updated_at": "2022-09-04T14:37:28.095230Z",
"structure_string": "Rb2 H2 O2\n1.0\n0.000000 4.137279 0.152423\n4.187887 0.000000 0.000000\n0.000000 -1.861053 -5.498286\nRb H O\n2 2 2\ndirect\n0.139508 0.761254 0.278808 Rb\n0.860493 0.261254 0.721193 Rb\n0.467491 0.898880 0.935076 H\n0.532511 0.398880 0.064925 H\n0.400485 0.737904 0.801976 O\n0.599517 0.237904 0.198026 O\n",
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{
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"created_at": "2022-09-04T14:37:13.950989Z",
"updated_at": "2022-09-04T14:37:13.950997Z",
"structure_string": "Rb2 H2 O2\n1.0\n2.069959 0.000000 5.426715\n0.000000 4.186996 0.000000\n-2.069959 0.000000 5.426715\nRb H O\n2 2 2\ndirect\n0.360587 0.260293 0.360587 Rb\n0.639412 0.760294 0.639412 Rb\n0.032431 0.398042 0.032431 H\n0.967568 0.898042 0.967568 H\n0.098988 0.237058 0.098988 O\n0.901011 0.737058 0.901011 O\n",
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{
"id": "jvasp-52905",
"created_at": "2022-09-04T14:36:52.014137Z",
"updated_at": "2022-09-04T14:36:52.014157Z",
"structure_string": "Rb2 H4 N2\n1.0\n0.000000 4.827596 -0.027694\n3.920227 0.000000 0.000000\n0.000000 -0.912059 -6.350431\nRb H N\n2 4 2\ndirect\n0.211457 0.750000 0.305456 Rb\n0.788544 0.250000 0.694544 Rb\n0.323358 0.545969 0.870585 H\n0.676643 0.045969 0.129414 H\n0.676643 0.454031 0.129414 H\n0.323358 0.954032 0.870585 H\n0.283046 0.750000 0.768798 N\n0.716954 0.250000 0.231201 N\n",
"nsites": 8,
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"elements": [
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"H",
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],
"chemical_system": "H-N-Rb",
"density": 2.8022118672381313,
"density_atomic": 0.06651000541995097,
"volume": 120.28265445908751,
"volume_molar": 9.054488451738333,
"formula_full": "Rb2 H4 N2",
"formula_reduced": "RbH2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2416733125,
"spacegroup": 11
},
{
"id": "jvasp-53171",
"created_at": "2022-09-04T14:38:07.697086Z",
"updated_at": "2022-09-04T14:38:07.697103Z",
"structure_string": "Rb2 H2 F4\n1.0\n4.955124 0.001966 -2.356281\n-2.975231 4.544181 -0.776998\n-0.000871 -0.001966 5.486830\nRb H F\n2 2 4\ndirect\n0.138743 0.388743 0.250000 Rb\n0.138742 0.888742 0.749999 Rb\n0.638780 0.638758 0.000023 H\n0.638735 0.138758 0.499977 H\n0.916804 0.277838 0.638966 F\n0.638871 0.777838 0.861034 F\n0.638673 0.499663 0.139010 F\n0.360652 -0.000338 0.360990 F\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "F-H-Rb",
"density": 3.34592368996844,
"density_atomic": 0.0647520245160561,
"volume": 123.54826061100678,
"volume_molar": 9.300312700658083,
"formula_full": "Rb2 H2 F4",
"formula_reduced": "RbHF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.500000000016378e-06,
"spacegroup": 140
},
{
"id": "jvasp-34946",
"created_at": "2022-09-04T14:38:29.250598Z",
"updated_at": "2022-09-04T14:38:29.250626Z",
"structure_string": "Rb2 H2 F4\n1.0\n4.953743 0.008803 -2.358846\n-2.981101 4.541531 -0.768991\n0.005779 -0.008803 5.486683\nRb H F\n2 2 4\ndirect\n0.000000 0.750000 0.750000 Rb\n0.000000 0.250000 0.250000 Rb\n0.499999 0.500000 -0.000001 H\n0.500000 -0.000000 0.499999 H\n0.221946 0.360974 0.860973 F\n0.500000 0.860973 0.639026 F\n0.778054 0.639026 0.139026 F\n0.500000 0.139027 0.360973 F\n",
"nsites": 8,
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],
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"density": 3.3459444480039213,
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"volume": 123.54749412512597,
"volume_molar": 9.30025500208477,
"formula_full": "Rb2 H2 F4",
"formula_reduced": "RbHF2",
"formula_anonymous": "ABC2",
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"spacegroup": 140
},
{
"id": "jvasp-10569",
"created_at": "2022-09-04T14:37:18.521122Z",
"updated_at": "2022-09-04T14:37:18.521146Z",
"structure_string": "Rb4 Ge2 Se6\n1.0\n6.555267 0.000000 2.803626\n2.847623 6.834614 2.407236\n-0.025381 0.004896 9.124718\nRb Ge Se\n4 2 6\ndirect\n0.806417 0.565213 0.821956 Rb\n0.193583 0.434787 0.178045 Rb\n0.587792 0.194470 0.629948 Rb\n0.412208 0.805530 0.370053 Rb\n0.879503 0.052673 0.188324 Ge\n0.120498 0.947327 0.811677 Ge\n0.302941 0.621485 0.772634 Se\n0.697060 0.378515 0.227367 Se\n0.254739 -0.000000 0.000000 Se\n0.745261 -0.000000 0.000000 Se\n0.890192 0.806924 0.412693 Se\n0.109808 0.193076 0.587308 Se\n",
"nsites": 12,
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"elements": [
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"Ge",
"Se"
],
"chemical_system": "Ge-Rb-Se",
"density": 3.898815439566348,
"density_atomic": 0.02932118853327184,
"volume": 409.2603540399856,
"volume_molar": 20.538528829301903,
"formula_full": "Rb4 Ge2 Se6",
"formula_reduced": "Rb2GeSe3",
"formula_anonymous": "AB2C3",
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"spacegroup": 12
},
{
"id": "jvasp-116121",
"created_at": "2022-09-04T14:38:40.823017Z",
"updated_at": "2022-09-04T14:38:40.823036Z",
"structure_string": "Rb1 Ge1 Se1\n1.0\n4.099640 -0.000000 0.000000\n-0.000000 4.099640 -0.000000\n-0.000000 -0.000000 8.749033\nRb Ge Se\n1 1 1\ndirect\n0.000000 0.000000 0.642158 Rb\n0.000000 0.000000 0.254161 Ge\n0.000000 0.000000 0.002102 Se\n",
"nsites": 3,
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"elements": [
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"Ge",
"Se"
],
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"density": 2.677134362728018,
"density_atomic": 0.02040185968489074,
"volume": 147.04541871845868,
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"formula_full": "Rb1 Ge1 Se1",
"formula_reduced": "RbGeSe",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-116120",
"created_at": "2022-09-04T14:38:40.662951Z",
"updated_at": "2022-09-04T14:38:40.662977Z",
"structure_string": "Rb1 Ge1 Se1\n1.0\n5.945191 -0.000000 0.000000\n-2.972595 5.148686 -0.000000\n0.000000 -0.000000 2.862143\nRb Ge Se\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Rb\n0.000000 0.000000 0.000000 Ge\n0.666667 0.333333 0.000000 Se\n",
"nsites": 3,
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"elements": [
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],
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"density": 4.493327981885951,
"density_atomic": 0.03424267690143718,
"volume": 87.60997303555109,
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"formula_full": "Rb1 Ge1 Se1",
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"spacegroup": 187
},
{
"id": "jvasp-116117",
"created_at": "2022-09-04T14:38:41.227866Z",
"updated_at": "2022-09-04T14:38:41.227881Z",
"structure_string": "Rb1 Ge1 S1\n1.0\n3.979105 -0.000000 0.000000\n0.000000 3.979105 -0.000000\n-0.000000 0.000000 8.467961\nRb Ge S\n1 1 1\ndirect\n0.000000 0.000000 0.648175 Rb\n0.000000 0.000000 0.248952 Ge\n0.000000 0.000000 0.003460 S\n",
"nsites": 3,
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"elements": [
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],
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"density": 2.3553087764312033,
"density_atomic": 0.02237544116167049,
"volume": 134.07556875969226,
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"formula_full": "Rb1 Ge1 S1",
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"spacegroup": 99
},
{
"id": "jvasp-116116",
"created_at": "2022-09-04T14:38:40.432257Z",
"updated_at": "2022-09-04T14:38:40.432281Z",
"structure_string": "Rb1 Ge1 S1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nRb Ge S\n1 1 1\ndirect\n0.372853 -0.001192 0.000000 Rb\n-0.003942 -0.046854 0.000000 Ge\n-0.001378 0.305048 0.000000 S\n",
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},
{
"id": "jvasp-116119",
"created_at": "2022-09-04T14:38:40.803317Z",
"updated_at": "2022-09-04T14:38:40.803341Z",
"structure_string": "Rb1 Ge1 S1\n1.0\n5.439433 0.000000 -0.000000\n-2.719716 4.710687 0.000000\n0.000000 -0.000000 3.295685\nRb Ge S\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Rb\n0.000000 0.000000 0.000000 Ge\n0.666666 0.333334 0.000000 S\n",
"nsites": 3,
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"formula_full": "Rb1 Ge1 S1",
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},
{
"id": "jvasp-10795",
"created_at": "2022-09-04T14:38:06.183775Z",
"updated_at": "2022-09-04T14:38:06.183802Z",
"structure_string": "Rb4 Ge2 S6\n1.0\n6.317179 -0.000000 2.735971\n2.760807 6.626100 2.286440\n-0.019765 0.005227 8.706596\nRb Ge S\n4 2 6\ndirect\n0.082266 0.199012 0.636455 Rb\n0.917735 0.800988 0.363545 Rb\n0.693745 0.428875 0.183635 Rb\n0.306256 0.571125 0.816364 Rb\n0.379646 0.053798 0.186911 Ge\n0.620355 0.946203 0.813089 Ge\n0.612793 0.181634 0.592781 S\n0.387208 0.818366 0.407219 S\n0.797740 0.630558 0.773965 S\n0.747091 0.000000 -0.000000 S\n0.252909 0.000000 -0.000000 S\n0.202261 0.369443 0.226035 S\n",
"nsites": 12,
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}
]
}